Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 cathode
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- 作者：Zhuo Yea ; Xin Zhaoa ; Shouding Lib ; Shunqing Wuc ; wsq@xmu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Ping Wud ; Manh Cuong Nguyena ; Jianghuai Guob ; Jinxiao Mie ; Zhengliang Gongf ; Zi-Zhong Zhuc ; Yong Yangb ; f ; Cai-Zhuang Wanga ; Kai-Ming Hoa ; d ; kmh@iastate.edu" class="auth_mail" title="E-mail the corresponding author
- 关键词：Battery ; Cathode ; First-principles calculations ; Structure prediction ; Structural evolution
- 刊名：Electrochimica Acta
- 出版年：2016
- 出版时间：10 September 2016
- 年：2016
- 卷：212
- 期：Complete
- 页码：934-940
- 全文大小：2465 K
文摘
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Crystal structures of NaxFeSiO4 are characterized by a diamond-like Fe-Si network.
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Diamond-like Fe-Si network is quite robust against the charge/discharge process.
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Robust diamond-like Fe-Si network responsible for the zero-strain behavior.
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NaxFeSiO4 Structures are investigated by using the crystal structure prediction schemes.